Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,ethyl ester supplier

Name
ETHYL 4-(3,4-DIMETHOXYPHENYL)-4-OXOBUTYRATE
EINECS
CAS No. 56872-60-7
Article Data7
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈O₅
Boiling Point 399.5 °C at 760 mmHg
Molecular Weight 266.29
Flash Point 211.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-(3,4-dimethoxyphenyl)-4-oxobutyrate;
PSA 61.83000
LogP 2.22980

Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,ethyl ester Specification

The Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,ethyl ester, with the CAS registry number 56872-60-7, is also known as Ethyl 4-(3,4-dimethoxyphenyl)-4-oxobutyrate. This chemical's molecular formula is C₁₄H₁₈O₅ and molecular weight is 266.29. What's more, its systematic name is ethyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate.

Physical properties of Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,ethyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 61.83 Å²; (7)Index of Refraction: 1.498; (8)Molar Refractivity: 69.94 cm³; (9)Molar Volume: 238.4 cm³; (10)Polarizability: 27.72×10^-24cm³; (11)Surface Tension: 37.3 dyne/cm; (12)Density: 1.116 g/cm³; (13)Flash Point: 211.5 °C; (14)Enthalpy of Vaporization: 65.02 kJ/mol; (15)Boiling Point: 399.5 °C at 760 mmHg; (16)Vapour Pressure: 1.36E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCC(=O)c1cc(OC)c(OC)cc1
(2)Std. InChI: InChI=1S/C14H18O5/c1-4-19-14(16)8-6-11(15)10-5-7-12(17-2)13(9-10)18-3/h5,7,9H,4,6,8H2,1-3H3
(3)Std. InChIKey: RUYBXJYVHYDTQL-UHFFFAOYSA-N

Product Name

ETHYL 4-(3,4-DIMETHOXYPHENYL)-4-OXOBUTYRATE

Benzenebutanoic acid,3,4-dimethoxy-g-oxo-,ethyl ester Specification

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